SCHEMBL27362052

SCHEMBL27362052

O=C(O)c1ccccc1Sc1ccc([NH+]([O-])Oc2ccc(C(=O)O)c(Sc3cccc(I)c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
NSD2 O96028 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 3/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCL2L1 Q07817 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27362928 0.80 SIRT1 (0.56) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL27362161 0.71 SIRT1 (0.50) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL27362055 0.70 SIRT1 (0.46) SIRT1FNTAFNTBNSD2KDM4E
SCHEMBL8639079 0.69 POLB (0.57) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL13627449 0.69 SIRT1 (0.49) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL231042 0.69 SIRT1 (0.71) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL315581 0.67 NPC1 (0.59) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL5660360 0.66 POLB (0.53) SIRT1NSD2KDM4EALDH1A1TDP1
SCHEMBL5030912 0.66 EDNRA (0.55) SIRT1KDM4EPOLBMEN1KMT2A
SCHEMBL30407941 0.66 EDNRA (0.52) KDM4EPOLBMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035268-A2 TAU PATHWAY MODULATORS QATAR FOUNDATION FOR EDUCATION, SCIENCE AND COMMUNITY DEVELOPMENT (QA) 2024-02-15 WO disclosed